ergo
integrals_1el_potential_prep.cc File Reference

Code for 1-electron integrals, preparatory work for computation of electron-nuclear potential energy matrix V. More...

#include "integrals_1el_potential_prep.h"
#include "multipole.h"
#include <stdexcept>

Functions

static void copy_data_and_advance_dest_ptr (char **destPtr, const char *srcPtr, size_t nBytes)
 
static void copy_data_and_advance_src_ptr (char *destPtr, const char **srcPtr, size_t nBytes)
 
void organize_distrs_for_V (const IntegralInfo &integralInfo, SetOfDistrsForV &setOfDistrsForV, const std::vector< DistributionSpecStructWithIndexes2 > &inputList, ergo_real threshold, ergo_real maxCharge)
 

Detailed Description

Code for 1-electron integrals, preparatory work for computation of electron-nuclear potential energy matrix V.

Author
: Elias Rudberg responsible

Function Documentation

◆ copy_data_and_advance_dest_ptr()

static void copy_data_and_advance_dest_ptr ( char **  destPtr,
const char *  srcPtr,
size_t  nBytes 
)
static

◆ copy_data_and_advance_src_ptr()

static void copy_data_and_advance_src_ptr ( char *  destPtr,
const char **  srcPtr,
size_t  nBytes 
)
static

◆ organize_distrs_for_V()